N-pyrrolidin-3-ylethanesulfonamide

C6H14N2O2S — CID 43602881

IUPACN-pyrrolidin-3-ylethanesulfonamide
SMILESCCS(=O)(=O)NC1CCNC1
InChIInChI=1S/C6H14N2O2S/c1-2-11(9,10)8-6-3-4-7-5-6/h6-8H,2-5H2,1H3
InChIKeyJROLNDVWBIDZNB-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.71
Rot. Bonds3

About N-pyrrolidin-3-ylethanesulfonamide

N-pyrrolidin-3-ylethanesulfonamide (PubChem CID 43602881) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is N-pyrrolidin-3-ylethanesulfonamide.

Molecular Properties

Compound NameN-pyrrolidin-3-ylethanesulfonamide
PubChem CID43602881
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC NameN-pyrrolidin-3-ylethanesulfonamide
SMILESCCS(=O)(=O)NC1CCNC1
InChIInChI=1S/C6H14N2O2S/c1-2-11(9,10)8-6-3-4-7-5-6/h6-8H,2-5H2,1H3
InChIKeyJROLNDVWBIDZNB-UHFFFAOYSA-N
XLogP-0.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-ylethanesulfonamide?
The IUPAC name of N-pyrrolidin-3-ylethanesulfonamide (CID 43602881) is N-pyrrolidin-3-ylethanesulfonamide.
What is the SMILES notation for N-pyrrolidin-3-ylethanesulfonamide?
The canonical SMILES for N-pyrrolidin-3-ylethanesulfonamide is CCS(=O)(=O)NC1CCNC1.
What is the InChIKey of N-pyrrolidin-3-ylethanesulfonamide?
The InChIKey is JROLNDVWBIDZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-2-11(9,10)8-6-3-4-7-5-6/h6-8H,2-5H2,1H3.
What are the key properties of N-pyrrolidin-3-ylethanesulfonamide?
N-pyrrolidin-3-ylethanesulfonamide has a molecular weight of 178.26 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-ylethanesulfonamide is sourced from PubChem (CID 43602881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).